N-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-7-phenylbenzo[c]carbazol-10-amine

C54H34N2O — CID 165058977

IUPACN-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-7-phenylbenzo[c]carbazol-10-amine
SMILESc1ccc(-n2c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5oc6c7ccccc7ccc6c45)cc3c3c4ccccc4ccc32)cc1
InChIInChI=1S/C54H34N2O/c1-2-15-41(16-3-1)56-48-32-29-43(34-47(48)52-44-17-8-6-12-37(44)26-31-50(52)56)55(42-27-23-36(24-28-42)40-22-21-35-11-4-5-14-39(35)33-40)49-19-10-20-51-53(49)46-30-25-38-13-7-9-18-45(38)54(46)57-51/h1-34H
InChIKeyQWTJQMATJVUTBF-UHFFFAOYSA-N
MW726.88 g/mol
LogP15.28
Rot. Bonds5

About N-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-7-phenylbenzo[c]carbazol-10-amine

N-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-7-phenylbenzo[c]carbazol-10-amine (PubChem CID 165058977) has the molecular formula C54H34N2O and a molecular weight of 726.88 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-7-phenylbenzo[c]carbazol-10-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-7-phenylbenzo[c]carbazol-10-amine
PubChem CID165058977
Molecular FormulaC54H34N2O
Molecular Weight726.88 g/mol
Exact Mass726.27
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-7-phenylbenzo[c]carbazol-10-amine
SMILESc1ccc(-n2c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5oc6c7ccccc7ccc6c45)cc3c3c4ccccc4ccc32)cc1
InChIInChI=1S/C54H34N2O/c1-2-15-41(16-3-1)56-48-32-29-43(34-47(48)52-44-17-8-6-12-37(44)26-31-50(52)56)55(42-27-23-36(24-28-42)40-22-21-35-11-4-5-14-39(35)33-40)49-19-10-20-51-53(49)46-30-25-38-13-7-9-18-45(38)54(46)57-51/h1-34H
InChIKeyQWTJQMATJVUTBF-UHFFFAOYSA-N
XLogP15.28
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170272106
N-naphtho[1,2-b][1]benzofuran-7-yl-5-phenyl-N-[4-(3-phenylphenyl)phenyl]benzo[b]carbazol-1-amine
CID 165048142
N,N-bis(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170272791
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738232
N-naphthalen-2-yl-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine
CID 163518594
N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 171737667
N-naphthalen-2-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 168781501
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738120
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738770
N-naphtho[1,2-b][1]benzofuran-7-yl-N,9-diphenylcarbazol-2-amine
CID 171738403
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738968
N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738220

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-7-phenylbenzo[c]carbazol-10-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-7-phenylbenzo[c]carbazol-10-amine (CID 165058977) is N-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-7-phenylbenzo[c]carbazol-10-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-7-phenylbenzo[c]carbazol-10-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-7-phenylbenzo[c]carbazol-10-amine is c1ccc(-n2c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5oc6c7ccccc7ccc6c45)cc3c3c4ccccc4ccc32)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-7-phenylbenzo[c]carbazol-10-amine?
The InChIKey is QWTJQMATJVUTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O/c1-2-15-41(16-3-1)56-48-32-29-43(34-47(48)52-44-17-8-6-12-37(44)26-31-50(52)56)55(42-27-23-36(24-28-42)40-22-21-35-11-4-5-14-39(35)33-40)49-19-10-20-51-53(49)46-30-25-38-13-7-9-18-45(38)54(46)57-51/h1-34H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-7-phenylbenzo[c]carbazol-10-amine?
N-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-7-phenylbenzo[c]carbazol-10-amine has a molecular weight of 726.88 g/mol, XLogP of 15.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-7-phenylbenzo[c]carbazol-10-amine is sourced from PubChem (CID 165058977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).